HMDB0038581 RDKit 3D Dihydroxyfumitremorgin C 55 59 0 0 0 0 0 0 0 0999 V2000 7.6760 -0.1951 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 -1.1269 -0.3542 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 -0.6538 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 0.6908 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 1.1252 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 0.2358 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 0.4160 0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -0.8021 0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -1.7199 0.2346 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 -1.1225 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2605 -1.5393 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -0.9058 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1118 -2.1630 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4522 -3.2510 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8665 -4.4474 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -3.3192 2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 0.2244 0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 0.1420 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 -0.9696 -0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 1.3348 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 1.3597 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 2.8060 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 3.5553 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 2.5678 -0.2603 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 2.6379 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0215 3.7300 0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 1.4510 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 1.4042 -1.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 1.6003 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 2.7571 0.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5157 0.5479 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6390 -0.6810 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 0.4203 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9023 1.3852 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 2.1823 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 -2.7550 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 -2.6103 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 -0.9865 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 -2.0994 -1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -5.2867 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7273 -4.3169 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 -4.7148 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5196 -2.8229 2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 -2.7916 2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -4.3376 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 1.4040 1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 1.2502 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 0.6422 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8201 3.1092 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8124 2.8764 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0872 4.3580 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 4.0359 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.0477 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1306 1.5500 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 2.7708 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 11 3 1 0 27 17 1 0 10 6 1 0 24 20 1 0 29 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 5 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 15 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 M END